methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate

C17H17NO2 — CID 129408452

IUPACmethyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(N)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-15(19)17(18)12-16(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12,18H2,1H3/t17-/m1/s1
InChIKeyLRGZAIAPYNJCEW-QGZVFWFLSA-N
MW267.33 g/mol
LogP2.25
Rot. Bonds3

About methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate

methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate (PubChem CID 129408452) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
PubChem CID129408452
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@]1(N)CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-20-15(19)17(18)12-16(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12,18H2,1H3/t17-/m1/s1
InChIKeyLRGZAIAPYNJCEW-QGZVFWFLSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate?
The IUPAC name of methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate (CID 129408452) is methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate is COC(=O)[C@]1(N)CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate?
The InChIKey is LRGZAIAPYNJCEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-15(19)17(18)12-16(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12,18H2,1H3/t17-/m1/s1.
What are the key properties of methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate?
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 129408452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).